N-(2-phenyltellanylethyl)-1-pyren-1-ylmethanimine

C25H19NTe — CID 156598635

IUPACN-(2-phenyltellanylethyl)-1-pyren-1-ylmethanimine
SMILESC(=N/CC[Te]c1ccccc1)\c1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C25H19NTe/c1-2-7-22(8-3-1)27-16-15-26-17-21-12-11-20-10-9-18-5-4-6-19-13-14-23(21)25(20)24(18)19/h1-14,17H,15-16H2/b26-17+
InChIKeyBFSBKQCLVLZRAL-YZSQISJMSA-N
MW461.03 g/mol
LogP5.45
Rot. Bonds5

About N-(2-phenyltellanylethyl)-1-pyren-1-ylmethanimine

N-(2-phenyltellanylethyl)-1-pyren-1-ylmethanimine (PubChem CID 156598635) has the molecular formula C25H19NTe and a molecular weight of 461.03 g/mol. Its IUPAC name is N-(2-phenyltellanylethyl)-1-pyren-1-ylmethanimine.

Molecular Properties

Compound NameN-(2-phenyltellanylethyl)-1-pyren-1-ylmethanimine
PubChem CID156598635
Molecular FormulaC25H19NTe
Molecular Weight461.03 g/mol
Exact Mass463.06
IUPAC NameN-(2-phenyltellanylethyl)-1-pyren-1-ylmethanimine
SMILESC(=N/CC[Te]c1ccccc1)\c1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C25H19NTe/c1-2-7-22(8-3-1)27-16-15-26-17-21-12-11-20-10-9-18-5-4-6-19-13-14-23(21)25(20)24(18)19/h1-14,17H,15-16H2/b26-17+
InChIKeyBFSBKQCLVLZRAL-YZSQISJMSA-N
XLogP5.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.03
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(E)-1-pyren-1-yl-N-[(E)-pyren-1-ylmethylideneamino]methanimine
CID 57458952
N-prop-2-enyl-N-[(E)-pyren-1-ylmethylideneamino]aniline
CID 172945532
butane;ethane;N-phenyl-N-(pyren-1-ylmethylideneamino)aniline
CID 91527554
(2Z)-1,2-diphenyl-2-[(E)-pyren-1-ylmethylidenehydrazinylidene]ethanone
CID 139051846
1-[(1E,6E)-7-pyren-1-ylhepta-1,6-dienyl]pyrene
CID 132511526
4-(pyren-1-ylmethylideneamino)benzoic acid
CID 102429268
4-[(pyren-1-ylmethylidenehydrazinylidene)methyl]phenol
CID 137021592
1-(diazomethyl)pyrene
CID 161167887
1-[2-(2-chlorophenyl)ethenyl]pyrene
CID 71329845
9-ethenylanthracene;1-ethenylnaphthalene;1-ethenylpyrene;styrene
CID 161490396
2-butyl-6-[2-(pyren-1-ylmethylideneamino)ethylamino]benzo[de]isoquinoline-1,3-dione
CID 176896515
2-(octyliminomethyl)pyren-1-ol
CID 136703636

Frequently Asked Questions

What is the IUPAC name of N-(2-phenyltellanylethyl)-1-pyren-1-ylmethanimine?
The IUPAC name of N-(2-phenyltellanylethyl)-1-pyren-1-ylmethanimine (CID 156598635) is N-(2-phenyltellanylethyl)-1-pyren-1-ylmethanimine.
What is the SMILES notation for N-(2-phenyltellanylethyl)-1-pyren-1-ylmethanimine?
The canonical SMILES for N-(2-phenyltellanylethyl)-1-pyren-1-ylmethanimine is C(=N/CC[Te]c1ccccc1)\c1ccc2ccc3cccc4ccc1c2c34.
What is the InChIKey of N-(2-phenyltellanylethyl)-1-pyren-1-ylmethanimine?
The InChIKey is BFSBKQCLVLZRAL-YZSQISJMSA-N. The full InChI is InChI=1S/C25H19NTe/c1-2-7-22(8-3-1)27-16-15-26-17-21-12-11-20-10-9-18-5-4-6-19-13-14-23(21)25(20)24(18)19/h1-14,17H,15-16H2/b26-17+.
What are the key properties of N-(2-phenyltellanylethyl)-1-pyren-1-ylmethanimine?
N-(2-phenyltellanylethyl)-1-pyren-1-ylmethanimine has a molecular weight of 461.03 g/mol, XLogP of 5.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyltellanylethyl)-1-pyren-1-ylmethanimine is sourced from PubChem (CID 156598635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).